[1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclohexyl]methanol

C14H25NO2 — CID 113359587

IUPAC[1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclohexyl]methanol
SMILESOCC1(CNCC2CCC=CO2)CCCCC1
InChIInChI=1S/C14H25NO2/c16-12-14(7-3-1-4-8-14)11-15-10-13-6-2-5-9-17-13/h5,9,13,15-16H,1-4,6-8,10-12H2
InChIKeyWAWQADAPFSXIOO-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.21
Rot. Bonds5

About [1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclohexyl]methanol

[1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclohexyl]methanol (PubChem CID 113359587) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is [1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclohexyl]methanol
PubChem CID113359587
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name[1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclohexyl]methanol
SMILESOCC1(CNCC2CCC=CO2)CCCCC1
InChIInChI=1S/C14H25NO2/c16-12-14(7-3-1-4-8-14)11-15-10-13-6-2-5-9-17-13/h5,9,13,15-16H,1-4,6-8,10-12H2
InChIKeyWAWQADAPFSXIOO-UHFFFAOYSA-N
XLogP2.21
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclohexyl]methanol with MolForge

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Related Compounds

[(3E)-1-(ethylaminomethyl)-3-(methoxymethylidene)cyclohexyl]methanol
CID 10987615
[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-3-methylcyclohexyl]methanol
CID 55087028
[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclohexyl]methanol
CID 62521695
[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-methylcyclohexyl]methanol
CID 62551276
2-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclohexan-1-ol
CID 64928409
1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclohexan-1-ol
CID 65106961
1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]-4,4-dimethylcyclohexan-1-ol
CID 65115342
1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]-4-ethylcyclohexan-1-ol
CID 65116457
1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]-3-methylcyclohexan-1-ol
CID 65117293
1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]-4-methylcyclohexan-1-ol
CID 65117555
1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cycloheptan-1-ol
CID 65123371
2-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclopentan-1-ol
CID 65835492

Frequently Asked Questions

What is the IUPAC name of [1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclohexyl]methanol (CID 113359587) is [1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclohexyl]methanol is OCC1(CNCC2CCC=CO2)CCCCC1.
What is the InChIKey of [1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclohexyl]methanol?
The InChIKey is WAWQADAPFSXIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c16-12-14(7-3-1-4-8-14)11-15-10-13-6-2-5-9-17-13/h5,9,13,15-16H,1-4,6-8,10-12H2.
What are the key properties of [1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclohexyl]methanol?
[1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclohexyl]methanol has a molecular weight of 239.36 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 113359587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).